Basic information
- Standard SMILES
N#Cc1ccccc1-c1ccc2c(c1)CCC2=O- InChIKey
OLFARMRCBJHDGT-UHFFFAOYSA-N- Molecular formula
- C16H11NO
- Average molar mass
- 233.26 g/mol
Names & identifiers
- Preferred name
- 2-(1-Oxo-indan-5-yl)-benzonitrile
- IUPAC
- 2-(1-oxo-2,3-dihydroinden-5-yl)benzonitrile
Names & synonyms
SCHEMBL9403376OLFARMRCBJHDGT-UHFFFAOYSA-N2-(1-Oxo-indan-5-yl)-benzonitrile
Database identifiers
- PubChem CID
- 19008907
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 380
Related reactions
4 records
Compound notes
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